N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide

C17H16FN3O5 — CID 108531966

IUPACN-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O5/c1-26-15-7-6-13(21(24)25)10-14(15)20-17(23)16(22)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyFLZFDMDIQGLQRY-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide

N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide (PubChem CID 108531966) has the molecular formula C17H16FN3O5 and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
PubChem CID108531966
Molecular FormulaC17H16FN3O5
Molecular Weight361.33 g/mol
Exact Mass361.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O5/c1-26-15-7-6-13(21(24)25)10-14(15)20-17(23)16(22)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyFLZFDMDIQGLQRY-UHFFFAOYSA-N
XLogP2.04
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 33173731
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031754
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
CID 33173643
(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2629172
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)-1-methylurea
CID 55694053
cyclopropyl-[(4-fluorophenyl)methyl]-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]azanium
CID 8905125
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide (CID 108531966) is N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
The InChIKey is FLZFDMDIQGLQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O5/c1-26-15-7-6-13(21(24)25)10-14(15)20-17(23)16(22)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide has a molecular weight of 361.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide is sourced from PubChem (CID 108531966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).